Title of article :
High-pressure high-temperature equation of state of graphite from Monte Carlo simulations Original Research Article
Author/Authors :
F. Colonna، نويسنده , , A. Fasolino، نويسنده , , E.J. Meijer، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2011
Abstract :
The thermoelastic behavior of graphite is experimentally accessible in a limited range of pressures and temperatures. Here we perform Monte Carlo simulations based on the accurate long range carbon bond-order potential (LCBOPII) in order to study graphite in a wider range of thermodynamic conditions. We present the volume-pressure equation of state and related thermoelastic properties up to 4000 K and 20 GPa.
